Geometry & MOs

Info

ID:	277444
PubChem CID:	103828580
Reduced:	F2N2O3C11H12 (1)
Stoich.:	A2B2C3D11E12 (1)
Weight, g/mol:	288.092163
ΔH_f, kcal/mol:	-103.22
Dipole, Da:	6.7
IP(EA), eV:	-9.37(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2,6-difluoro-4-nitroanilino)methyl]oxan-4-ol

Drug info:

PubChemData

Smile

C1CC1C(CNC2=C(C=C(C=C2F)[N+](=O)[O-])F)O

DOS

IR

Vibrations